(5E)-5-[(3-hydroxyphenyl)methylidene]-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C20H13N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-hydroxyphenyl)methylidene]-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(3-hydroxyphenyl)methylidene]-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H13N3O3S2 |
| Smiles | Oc1cccc(/C=C(\C(N2/C=C/C3=Nc(cccc4)c4NC3=O)=O)/SC2=S)c1 |
| InChI | InChI=1S/C20H13N3O3S2/c24-13-5-3-4-12(10-13)11-17-19(26)23(20(27)28-17)9-8-16-18(25)22-15-7-2-1-6-14(15)21-16/h1-11,24H,(H,22,25) |
| InChIK | YHEDFHPMMARWFA-UHFFFAOYSA-N |
| TotalMolweight | 407.473 |
| Molweight | 407.473 |
| MonoisotopicMass | 407.039832 |
| CLogP | 1.1504 |
| CLogS | -4.664 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 294.01 |
| Relative PSA | 0.37818 |
| PolarSurfaceArea | 139.39 |
| Druglikeness | 5.1197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(3-hydroxyphenyl)methylidene]-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(3-hydroxyphenyl)methylidene]-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
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